SCHEMBL3246949

SCHEMBL3246949

O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.59
CYP3A4 P08684 2/20 0.59
MAPK1 P28482 2/20 0.59
CES2 O00748 1/20 0.59
ABCB11 O95342 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
GLA P06280 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
TBXA2R P21731 1/20 0.59
AADAC P22760 1/20 0.59
CYP2C19 P33261 1/20 0.59
ADRA1A P35348 1/20 0.59
HTT P42858 1/20 0.59
HTR6 P50406 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30554610 1.00 AR (0.59) ARCYP3A4MAPK1CES2ABCB11
SCHEMBL4250921 0.84 MEN1 (0.58) ARCYP3A4MAPK1CES2ABCB11
SCHEMBL3644541 0.84 MEN1 (0.60) ARCYP3A4MAPK1CES2ABCB11
SCHEMBL3529901 0.84 LMNA (0.64) ARCYP3A4MAPK1CES2ABCB11
SCHEMBL27923735 0.82 MAPT (0.58) MAPK1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL18549031 0.82 AR (0.58) ARCYP3A4MAPK1CES2ABCB11
SCHEMBL3246599 0.81 AR (0.57) ARCYP3A4MAPK1CES2ABCB11
SCHEMBL30554578 0.81 AR (0.57) ARCYP3A4MAPK1CES2ABCB11
SCHEMBL5668773 0.81 P2RX1 (0.66) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL6819245 0.81 MAPT (0.61) ARCYP3A4MAPK1CES2ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161832-A1 MEASUREMENT, DIAGNOSIS, TREATMENT AND MANAGEMENT OF METABOLIC SYNDROME GARCIA SADA FERNANDO (MX) 2023-08-31 WO claimed
US-20230266340-A1 Measurement, Diagnosis, Treatment and Management of Metabolic Syndrome SILTI AG (CH) 2023-08-24 US claimed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed
US-20240066001-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES SILTI AG (CH) 2024-02-29 US disclosed
US-20240066001-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES SILTI AG (CH) 2024-02-29 US disclosed
EP-3164125-B1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES NAN GLOBAL LLC (US) 2023-09-06 EP disclosed
WO-2023161832-A1 MEASUREMENT, DIAGNOSIS, TREATMENT AND MANAGEMENT OF METABOLIC SYNDROME GARCIA SADA FERNANDO (MX) 2023-08-31 WO disclosed
US-20230266340-A1 Measurement, Diagnosis, Treatment and Management of Metabolic Syndrome SILTI AG (CH) 2023-08-24 US disclosed
US-20210186918-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES MOLECULE X LLC 2021-06-24 US disclosed
US-10849872-B2 Methods and compositions for treating obesity, preventing weight gain, promoting weight loss, promoting slimming, or treating or preventing the development of diabetes NAN Global, LLC (US) 2020-12-01 US disclosed
EP-3164125-A2 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES Nan Global, LLC (US) 2017-05-10 EP disclosed
WO-2016004363-A2 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES NAN Global, LLC (US) 2016-01-07 WO disclosed
US-20160000745-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES MOLECULE X LLC 2016-01-07 US disclosed
US-20160000745-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES MOLECULE X LLC 2016-01-07 US disclosed
EP-1575575-B1 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2010-05-19 EP disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO disclosed
EP-1575575-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-21 EP disclosed
US-20040138301-A1 Chemical uncouplers for the treatment of obesity HIGH POINT PHARMACEUTICALS, LLC 2004-07-15 US disclosed
WO-2004041256-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-05-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210186918-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES GPR119, CPT1B, CPT2 AR 2650/4885CYP3A4 4786/4885MAPK1 873/4885
US-20240066001-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES GPR119, CPT1B, CPT2 AR 2650/4885CYP3A4 4786/4885MAPK1 873/4885
US-20160000745-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES GPR119, CPT1B, CPT2 AR 2650/4885CYP3A4 4786/4885MAPK1 873/4885
US-20040138301-A1 Chemical uncouplers for the treatment of obesity PC, CPT2, IDH2 AR 264/4885CYP3A4 816/4885MAPK1 2044/4885
US-10849872-B2 Methods and compositions for treating obesity, preventing weight gain, promoting weight loss, promoting slimming, or treating or preventing the development of diabetes GPR119, CPT1B, CPT2 AR 2650/4885CYP3A4 4786/4885MAPK1 873/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.